4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione

C7H7NO3 — CID 118570097

IUPAC4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione
SMILESO=C1OC2=C(CCNC2)C1=O
InChIInChI=1S/C7H7NO3/c9-6-4-1-2-8-3-5(4)11-7(6)10/h8H,1-3H2
InChIKeyMGKNTODGJKDEIT-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.64
Rot. Bonds

About 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione

4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione (PubChem CID 118570097) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione.

Molecular Properties

Compound Name4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione
PubChem CID118570097
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione
SMILESO=C1OC2=C(CCNC2)C1=O
InChIInChI=1S/C7H7NO3/c9-6-4-1-2-8-3-5(4)11-7(6)10/h8H,1-3H2
InChIKeyMGKNTODGJKDEIT-UHFFFAOYSA-N
XLogP-0.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione?
The IUPAC name of 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione (CID 118570097) is 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione.
What is the SMILES notation for 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione?
The canonical SMILES for 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione is O=C1OC2=C(CCNC2)C1=O.
What is the InChIKey of 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione?
The InChIKey is MGKNTODGJKDEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-6-4-1-2-8-3-5(4)11-7(6)10/h8H,1-3H2.
What are the key properties of 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione?
4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione has a molecular weight of 153.14 g/mol, XLogP of -0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-2,3-dione is sourced from PubChem (CID 118570097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).